(13E)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Systemtic Name: (13E)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone Openeye Name: (13E)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-7-methyl-16-[(E)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone CAS Name: (13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-7-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone IUPAC Name: (13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-7-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone Traditional Name: (13E)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-7-methyl-16-[(E)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone Formula: C35H43ClN2O7 MolecularWeight: 639.17812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)OC(C(=O)OC(CC=CC(=O)NC(C(=O)N1)CC2=CC(=C(C=C2)OC)Cl)C(C)C=CC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1CC(=O)OC(C(=O)OC(C/C=C/C(=O)NC(C(=O)N1)CC2=CC(=C(C=C2)OC)Cl)C(C)/C=C/C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C35H43ClN2O7/c1-22(2)18-31-35(42)45-29(23(3)14-15-25-10-7-6-8-11-25)12-9-13-32(39)38-28(34(41)37-24(4)19-33(40)44-31)21-26-16-17-30(43-5)27(36)20-26/h6-11,13-17,20,22-24,28-29,31H,12,18-19,21H2,1-5H3,(H,37,41)(H,38,39)/b13-9+,15-14+